%chk=000139844.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139844

0 1
 O   7.5599998E-02   2.424500      5.5300001E-02
 O   -1.177100      -2.375100       1.814400    
 O    1.094000      -2.271600       2.109300    
 N   -4.692700       2.568000     -0.2133000    
 N    4.818600       2.520100      0.3848000    
 C   0.1991000     -0.3487000     -0.6532000    
 C   -1.086800      0.3873000     -0.5454000    
 C    1.344400      0.3421000     -0.4011000    
 C   -1.081000       1.737700     -0.1964000    
 C   0.2716000      -1.769100      -1.015000    
 C    1.293700       1.766700     -3.6200002E-02
 C   -2.327100     -0.2278000     -0.7833000    
 C   -2.270800       2.464200     -8.5100003E-02
 C    2.670800     -0.2852000     -0.4779000    
 C   -3.491100       1.840100     -0.3243000    
 C   0.2343000      -2.761200     -4.2500000E-02
 C    2.411500       2.463400      0.2158000    
 C   -3.519300      0.4938000     -0.6734000    
 C   0.3797000      -2.098400      -2.361200    
 C    3.751600       1.829100      0.1380000    
 C    3.798900      0.3917000     -0.2306000    
 C   0.3060000      -4.101800     -0.4213000    
 C   0.4515000      -3.439100      -2.739900    
 C   0.4146000      -4.440700      -1.770000    
 C   -5.979000       1.986000     -0.4456000    
 C   0.1208000      -2.449500       1.377600    
 C    6.057900       1.768200      0.2699000    
 C   -7.088700       2.998600     -0.2191000    
 C   -1.361400      -2.072200       3.202000    
 C    7.224500       2.689200      0.5629000    
 C   -2.844000      -2.030400       3.504900    
 H   -2.393500      -1.277700      -1.057700    
 H   -2.236400       3.516300      0.1888000    
 H    2.766900      -1.333100     -0.7409000    
 H    2.371300       3.514100      0.4846000    
 H   -4.445800     -3.7200000E-02 -0.8703000    
 H   0.4090000      -1.330300      -3.130000    
 H    4.729700     -0.1545000     -0.3097000    
 H   -4.622600       3.547700      3.9000001E-02
 H   0.2781000      -4.891800      0.3250000    
 H   0.5358000      -3.703100      -3.790000    
 H   0.4704000      -5.484500      -2.064900    
 H   -6.053400       1.618400      -1.475800    
 H   -6.147600       1.141500      0.2331000    
 H    6.101400      0.9488000      0.9979000    
 H    6.203800       1.381600     -0.7462000    
 H   -7.070200       3.377400      0.8084000    
 H   -6.981400       3.855100     -0.8932000    
 H   -8.066700       2.541500     -0.3986000    
 H  -0.8799000      -2.845200       3.811000    
 H  -0.9105000      -1.098700       3.424400    
 H    8.172300       2.148000      0.4830000    
 H    7.247600       3.528000     -0.1408000    
 H    7.150600       3.105300       1.573200    
 H   -3.021800      -1.799700       4.558900    
 H   -3.341400      -1.274300       2.888200    
 H   -3.312700      -2.991400       3.268800    


%chk=000139844-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139844

0 1
O -0.123880 2.176171 0.221559
O -0.413560 -1.864048 1.709299
O -1.048644 -4.098748 1.753577
N -4.908768 2.294321 -0.223756
N 4.620489 2.480481 0.700045
C 0.029832 -0.563184 -0.634802
C -1.249675 0.116672 -0.553062
C 1.202431 0.139767 -0.325807
C -1.292234 1.481694 -0.118417
C 0.081514 -1.981002 -1.124505
C 1.138950 1.531392 0.110313
C -2.500722 -0.482612 -0.878048
C -2.486128 2.200818 -0.004891
C 2.532866 -0.439575 -0.375679
C -3.725947 1.576938 -0.333436
C -0.248180 -3.128562 -0.337335
C 2.248362 2.272037 0.439299
C -3.712218 0.213663 -0.776019
C 0.444536 -2.181957 -2.483034
C 3.589430 1.695216 0.371784
C 3.661026 0.282302 -0.052757
C -0.215246 -4.421879 -0.926470
C 0.480945 -3.470459 -3.057640
C 0.144149 -4.599125 -2.275549
C -6.239345 1.760719 -0.542939
C -0.617513 -3.101194 1.117813
C 5.993970 1.927366 0.641823
C -7.317425 2.833905 -0.317858
C -0.755614 -1.751884 3.161369
C 7.001295 3.015914 1.048660
C -0.575544 -0.285511 3.540657
H -2.511089 -1.522442 -1.221382
H -2.444422 3.241950 0.332093
H 2.620280 -1.488938 -0.678371
H 2.155259 3.312471 0.760211
H -4.647321 -0.288836 -1.037086
H 0.694032 -1.305240 -3.090289
H 4.641770 -0.202901 -0.105575
H -4.855219 3.263943 0.088810
H -0.476791 -5.274715 -0.291656
H 0.766666 -3.590047 -4.108459
H 0.165778 -5.603426 -2.711530
H -6.268185 1.417968 -1.598738
H -6.455677 0.874926 0.090595
H 6.104669 1.049586 1.319950
H 6.239366 1.560867 -0.381871
H -7.332366 3.169377 0.735531
H -7.144871 3.714057 -0.964361
H -8.315637 2.429764 -0.557436
H -1.792194 -2.107730 3.301869
H -0.080629 -2.423591 3.722481
H 8.039689 2.635164 1.016182
H 6.920133 3.882794 0.369589
H 6.785773 3.371268 2.071637
H -0.793223 -0.150916 4.616040
H 0.458719 0.048604 3.350814
H -1.260564 0.358507 2.963058


